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4-(2-fluorophenyl)-2-methylisoquinolin-1-one

C16H12FNO — CID 118022193

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(2-fluorophenyl)-2-methylisoquinolin-1-one
SMILESCn1cc(-c2ccccc2F)c2ccccc2c1=O
InChIInChI=1S/C16H12FNO/c1-18-10-14(12-7-4-5-9-15(12)17)11-6-2-3-8-13(11)16(18)19/h2-10H,1H3
InChIKeyCOBBPKFGAVHPDY-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.34
Rot. Bonds1

About 4-(2-fluorophenyl)-2-methylisoquinolin-1-one

4-(2-fluorophenyl)-2-methylisoquinolin-1-one (PubChem CID 118022193) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methylisoquinolin-1-one
PubChem CID118022193
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name4-(2-fluorophenyl)-2-methylisoquinolin-1-one
SMILESCn1cc(-c2ccccc2F)c2ccccc2c1=O
InChIInChI=1S/C16H12FNO/c1-18-10-14(12-7-4-5-9-15(12)17)11-6-2-3-8-13(11)16(18)19/h2-10H,1H3
InChIKeyCOBBPKFGAVHPDY-UHFFFAOYSA-N
XLogP3.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methylisoquinolin-1-one?
The IUPAC name of 4-(2-fluorophenyl)-2-methylisoquinolin-1-one (CID 118022193) is 4-(2-fluorophenyl)-2-methylisoquinolin-1-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methylisoquinolin-1-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-methylisoquinolin-1-one is Cn1cc(-c2ccccc2F)c2ccccc2c1=O.
What is the InChIKey of 4-(2-fluorophenyl)-2-methylisoquinolin-1-one?
The InChIKey is COBBPKFGAVHPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c1-18-10-14(12-7-4-5-9-15(12)17)11-6-2-3-8-13(11)16(18)19/h2-10H,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-methylisoquinolin-1-one?
4-(2-fluorophenyl)-2-methylisoquinolin-1-one has a molecular weight of 253.28 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methylisoquinolin-1-one is sourced from PubChem (CID 118022193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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